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Toluene → Ethyl 3-(4-bromo-2-fluoro-phenylamino)-thieno[2,3-c]pyridine-2-carboxylate

HRID 291812
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HRID 291812 반응식
[Br:32][c:33]1[cH:34][c:35]([F:40])[c:36]([NH2:37])[cH:38][cH:39]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:15][S:16]([C:17]([F:18])([F:19])[C:20]([F:21])([F:22])[C:23]([F:24])([F:25])[C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[c:8]2[c:9]([cH:10][n:11][cH:12][cH:13]2)[s:14]1.[CH2:41]1[CH2:42][CH2:43][C:44]2=[N:49][CH2:48][CH2:47][CH2:46][N:45]2[CH2:50][CH2:51]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([NH:37][c:36]2[c:35]([F:40])[cH:34][c:33]([Br:32])[cH:39][cH:38]2)[c:8]2[c:9]([cH:10][n:11][cH:12][cH:13]2)[s:14]1
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6

반응물 5

HCID 1140TolueneHCID 8857Ethyl AcetateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 1230504-Bromo-2-fluoroanilineHCID 597039143-(Nonafluorobutane-1-sulfonyloxy)-thieno[2,3-c]pyridine-2-carboxylic acid ethyl ester

생성물 1

HCID 59703899Ethyl 3-(4-bromo-2-fluoro-phenylamino)-thieno[2,3-c]pyridine-2-carboxylate

출처 및 근거

ORD 기록
ord-f6401d852f2345c7b48d9b115cdbfeab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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